CARVEDILOL

/static/temp/default.svg Search structure
Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C07AG02
UNII 0K47UL67F2
EPA CompTox DTXSID8022747

Structure

InChI Key OGHNVEJMJSYVRP-UHFFFAOYSA-N
Smiles COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12
InChI
InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H26N2O4
Molecular Weight 406.48
AlogP 3.74
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 75.74
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-1 antagonist ANTAGONIST FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 350 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - 0.195 0.81-3.4 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 3.162 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC47 family of multidrug and toxin extrusion transporters
- - - - 21
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 0.195 - 21
Mus musculus
- - 100 - -
Rattus norvegicus
- 306 - 0.81-3.4 -

Target Conservation

Protein: Adrenergic receptor beta
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252
Protein: Adrenergic receptor beta
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591
Protein: Adrenergic receptor beta
Description: Beta-3 adrenergic receptor
Organism : Homo sapiens
P13945 ENSG00000188778
Protein: Adrenergic receptor alpha-1
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha-1
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha-1
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214

Related Entries

Cross References

Resources Reference
ChEBI 3441
ChEMBL CHEMBL723
DrugBank DB01136
DrugCentral 522
FDA SRS 0K47UL67F2
Human Metabolome Database HMDB0015267
Guide to Pharmacology 551
KEGG C06875
PharmGKB PA448817
PubChem 2585
SureChEMBL SCHEMBL22293
ZINC ZINC01530580
CONTENTS